N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline

C47H33Cl2N — CID 168837214

IUPACN,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc4)c4ccccc34)cc21
InChIInChI=1S/C47H33Cl2N/c1-47(2)43-14-8-7-9-37(43)38-28-17-31(29-44(38)47)46-41-12-5-3-10-39(41)45(40-11-4-6-13-42(40)46)30-15-22-34(23-16-30)50(35-24-18-32(48)19-25-35)36-26-20-33(49)21-27-36/h3-29H,1-2H3
InChIKeyHQCZCXIPDXULTO-UHFFFAOYSA-N
MW682.69 g/mol
LogP14.41
Rot. Bonds5

About N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline

N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline (PubChem CID 168837214) has the molecular formula C47H33Cl2N and a molecular weight of 682.69 g/mol. Its IUPAC name is N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline.

Molecular Properties

Compound NameN,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline
PubChem CID168837214
Molecular FormulaC47H33Cl2N
Molecular Weight682.69 g/mol
Exact Mass681.20
IUPAC NameN,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline
SMILESCC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc4)c4ccccc34)cc21
InChIInChI=1S/C47H33Cl2N/c1-47(2)43-14-8-7-9-37(43)38-28-17-31(29-44(38)47)46-41-12-5-3-10-39(41)45(40-11-4-6-13-42(40)46)30-15-22-34(23-16-30)50(35-24-18-32(48)19-25-35)36-26-20-33(49)21-27-36/h3-29H,1-2H3
InChIKeyHQCZCXIPDXULTO-UHFFFAOYSA-N
XLogP14.41
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500682.69
LogP ≤ 514.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

7-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]-9,9-dimethyl-N,N-diphenylfluoren-2-amine
CID 153018330
9-(9,9-dimethylfluoren-2-yl)-10-(2-phenylphenyl)anthracene
CID 20822373
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline
CID 59757697
N,N-bis[4-(2,6-diphenylphenyl)phenyl]-9,9-dimethylfluoren-2-amine
CID 168771647
9-(9,9-dimethylfluoren-2-yl)-10-[10-(4-ethylphenyl)anthracen-9-yl]anthracene
CID 20821930
4-[10-[7-(9,9-dimethylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]anthracen-9-yl]phenol
CID 154533323
N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenylaniline;N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-(4-phenylphenyl)aniline;4-(9,9-dimethylfluoren-2-yl)-N,N-bis[4-(9,9-dimethylfluoren-2-yl)phenyl]aniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-N,4-diphenylaniline;N-[4-(9,9-dimethylfluoren-2-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline;4-(2-phenylphenyl)-N,N-bis[4-(2-phenylphenyl)phenyl]aniline
CID 159257633
N-[4-[2-[4-(N-(9,9-dimethylfluoren-2-yl)anilino)phenyl]phenyl]phenyl]-9,9-dimethyl-N-phenylfluoren-2-amine
CID 121298487
2-N,6-N-di(dibenzofuran-3-yl)-9,10-bis(9,9-dimethylfluoren-2-yl)-2-N,6-N-diphenylanthracene-2,6-diamine
CID 89254555
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-2,3-diethylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-2,3-diethylanthracene
CID 20822097
9-(9,9-dimethylfluoren-2-yl)-10-[7-[10-(9,9-dimethylfluoren-2-yl)-4-phenylanthracen-9-yl]-9,9-dimethylfluoren-2-yl]-1-phenylanthracene
CID 20822392
9-[6-(9,9-dimethylfluoren-2-yl)naphthalen-2-yl]-10-phenylanthracene
CID 123170824

Frequently Asked Questions

What is the IUPAC name of N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline?
The IUPAC name of N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline (CID 168837214) is N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline.
What is the SMILES notation for N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline?
The canonical SMILES for N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline is CC1(C)c2ccccc2-c2ccc(-c3c4ccccc4c(-c4ccc(N(c5ccc(Cl)cc5)c5ccc(Cl)cc5)cc4)c4ccccc34)cc21.
What is the InChIKey of N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline?
The InChIKey is HQCZCXIPDXULTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H33Cl2N/c1-47(2)43-14-8-7-9-37(43)38-28-17-31(29-44(38)47)46-41-12-5-3-10-39(41)45(40-11-4-6-13-42(40)46)30-15-22-34(23-16-30)50(35-24-18-32(48)19-25-35)36-26-20-33(49)21-27-36/h3-29H,1-2H3.
What are the key properties of N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline?
N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline has a molecular weight of 682.69 g/mol, XLogP of 14.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(4-chlorophenyl)-4-[10-(9,9-dimethylfluoren-2-yl)anthracen-9-yl]aniline is sourced from PubChem (CID 168837214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).